3-(4-octoxyphenyl)-4-phenyl-benzenecarboperoxoic acid

Systemtic Name: 3-(4-octoxyphenyl)-4-phenyl-benzenecarboperoxoic acid Openeye Name: 3-(4-octoxyphenyl)-4-phenyl-benzenecarboperoxoic acid CAS Name: 3-(4-octoxyphenyl)-4-phenylbenzenecarboperoxoic acid IUPAC Name: 3-(4-octoxyphenyl)-4-phenylbenzenecarboperoxoic acid Traditional Name: 3-(4-octoxyphenyl)-4-phenyl-perbenzoic acid Formula: C27H30O4 MolecularWeight: 418.5247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OO)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OO)C3=CC=CC=C3

InChI

InChI=1S/C27H30O4/c1-2-3-4-5-6-10-19-30-24-16-13-22(14-17-24)26-20-23(27(28)31-29)15-18-25(26)21-11-8-7-9-12-21/h7-9,11-18,20,29H,2-6,10,19H2,1H3